methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate

C11H20F3NO3 — CID 62027910

IUPACmethyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate
SMILESCCN(CCCOCC(F)(F)F)CCC(=O)OC
InChIInChI=1S/C11H20F3NO3/c1-3-15(7-5-10(16)17-2)6-4-8-18-9-11(12,13)14/h3-9H2,1-2H3
InChIKeyIGVJTEIKDYZPEW-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.84
Rot. Bonds9

About methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate

methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate (PubChem CID 62027910) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate
PubChem CID62027910
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Namemethyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate
SMILESCCN(CCCOCC(F)(F)F)CCC(=O)OC
InChIInChI=1S/C11H20F3NO3/c1-3-15(7-5-10(16)17-2)6-4-8-18-9-11(12,13)14/h3-9H2,1-2H3
InChIKeyIGVJTEIKDYZPEW-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61492236
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
4-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55006281
methyl 3-[2-[2-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-ethylamino]ethyl-ethylamino]ethyl-ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 90207758
methyl 3-(dihexylamino)propanoate
CID 11032971
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
methyl 3-(10,10,10-trifluorodecoxy)propanoate
CID 151180668
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
1-(2,2,2-trifluoroethoxy)heptan-4-one
CID 61490504

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate (CID 62027910) is methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate is CCN(CCCOCC(F)(F)F)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate?
The InChIKey is IGVJTEIKDYZPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-3-15(7-5-10(16)17-2)6-4-8-18-9-11(12,13)14/h3-9H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate?
methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate has a molecular weight of 271.28 g/mol, XLogP of 1.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate is sourced from PubChem (CID 62027910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).